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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Vapour pressure

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
Justification for type of information:
1. SOFTWARE
EPISuite 4.1

2. MODEL (incl. version number)
MPBPVP v1.43

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
C(CCCCCCCCCCCCCCC(O)=O)(O)=O

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
For vapour pressure, MPBPVP is an EPISuite model recommended by ECHA in its practical guide “How to use and report (Q)SARs 3.1”.

5. APPLICABILITY DOMAIN
Not detailed by the software.

6. ADEQUACY OF THE RESULT
The prediction is adequate as the QSAR model is scientifically valid and relevant for the regulatory purpose.
Qualifier:
according to guideline
Guideline:
other: REACH Guidance on QSARs R.6 (2008)
GLP compliance:
no
Type of method:
other: calculation method (Modified Grain method)
Key result
Temp.:
25 °C
Vapour pressure:
0 Pa
Conclusions:
Based on a computer prediction (EPISuite, Modified Grain method), the vapour pressure of hexadecanedioic acid is estimated to be 0.00000605 Pa at 25°C.

Description of key information

Key value for chemical safety assessment

Vapour pressure:
0 Pa
at the temperature of:
25 °C

Additional information